RT - Journal Article T1 - Vibrational spectral simulation of amino acids in gaseous and solution forms JF - opsi YR - 2015 JO - opsi VO - 21 IS - 0 UR - http://opsi.ir/article-1-655-en.html SP - 505 EP - 508 K1 - Vibrational spectrum K1 - Raman scattering K1 - infrared spectroscopy K1 - simulation K1 - amino acids AB - Vibrational spectra of neutral and solution forms of aliphatic amino acids via density functional theory (DFT) have been simulated. The results reveal the success of this method in calculation of vibrational modes and investigations confirmed the high compatibility between the theoretical obtained and experimental recorded spectral results. In amino acids, the region below 2000 cm-1 is active to IR and related to alkyl side chains and the region above 3000 cm-1 is active to Raman and related to functional groups. LA eng UL http://opsi.ir/article-1-655-en.html M3 ER -